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Mycro1

CAT: 0013-GTR19210879-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210879-01Size:25 mg
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Description
Mycro1
CAS Number
313987-85-8
Field of Research
Cell Biology
Smiles
C (F) (F) (F) C=1N2C (N=C (C1) C3=CC=CS3) =CC (C (NCC4=CC=C (OC) C=C4) =O) =N2
Molecular Formula
C20H15F3N4O2S
Molecular Weight
432.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mycro1
CAS Number313987-85-8
PubChem CID1101958
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.4
XLogP3.7
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity603
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F
InChI
InChI=1S/C20H15F3N4O2S/c1-29-13-6-4-12(5-7-13)11-24-19(28)15-10-18-25-14(16-3-2-8-30-16)9-17(20(21,22)23)27(18)26-15/h2-10H,11H2,1H3,(H,24,28)
InChIKey
AARUNXNNAZIAQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mycro1
CAS: 313987-85-8
CID: 1101958
Formula: C20H15F3N4O2S
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass432.08678139
Monoisotopic Mass432.08678139
Topological Polar Surface Area96.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T69465-01Mycro1